MassBank Record: FFF00159



 Campesterol; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00159
RECORD_TITLE: Campesterol; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+
DATE: 2016.01.19 (2011.04.04, 2011.06.20)
AUTHORS: , Atsushi Yamamoto, PFOS.jp
LICENSE: CC BY-SA
COPYRIGHT: PFOS.jp
COMMENT: Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong.

CH$NAME: Campesterol CH$COMPOUND_CLASS: Natural Product; Sterol CH$FORMULA: C28H48O CH$EXACT_MASS: 400.37052 CH$SMILES: C(C(CCC(C)C(C4)C(C3C4)(C)CCC(C13)C(C2)(C(CC(C2)O)=CC1)C)C)(C)C CH$IUPAC: InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19?,20?,22-,23?,24?,25?,26?,27?,28?/m0/s1 CH$LINK: CAS 474-62-4 CH$LINK: LIPIDBANK SST0036 CH$LINK: INCHIKEY SGNBVLSWZMBQTH-FEGPEKPQSA-N
AC$INSTRUMENT: API2000 AC$INSTRUMENT_TYPE: LC-APPI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min
MS$FOCUSED_ION: BASE_PEAK 105.199997 MS$FOCUSED_ION: PRECURSOR_M/Z 383.400000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-067m-9400000000-11a49e4a93a353488124 PK$NUM_PEAK: 271 PK$PEAK: m/z int. rel.int. 38.799999 1850.500000 1 39.099998 3701.000000 1 39.299999 1850.500000 1 39.500000 3701.000000 1 41.098571 259070.000000 21 43.098559 1541466.500000 126 44.000000 7402.000000 1 44.299999 3701.000000 1 47.900002 1850.500000 1 50.900002 5551.500000 1 51.200001 1850.500000 1 51.400002 1850.500000 1 52.150000 3701.000000 1 52.475000 7402.000000 1 55.104377 4143269.500000 338 57.140360 3704701.000000 302 58.049999 14804.000000 1 63.049999 3701.000000 1 63.599998 3701.000000 1 64.433334 11103.000000 1 65.184617 48113.000000 4 67.102617 6080743.000000 495 69.122680 4487462.500000 366 71.124475 1587729.000000 129 72.300001 5551.500000 1 74.500000 1850.500000 1 75.000000 1850.500000 1 75.199997 3701.000000 1 77.042064 466326.000000 38 79.044692 4322768.000000 352 81.121612 12261413.000000 999 83.141722 2794255.000000 228 84.199997 11103.000000 1 85.121905 388605.000000 32 85.750000 3701.000000 1 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